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2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium

2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium

Systemtic Name:2-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-azanium
Openeye Name:2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropyl-ammonium
CAS Name:2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)thio]ethyl-dipropylammonium
IUPAC Name:2-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dipropylazanium
Traditional Name:2-[(5-amyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium
Formula: C17H32N3O2S+
MolecularWeight: 342.51988
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)O


Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)SCC[NH+](CCC)CCC)O


InChI

InChI=1S/C17H31N3O2S/c1-4-7-8-9-14-15(21)18-17(19-16(14)22)23-13-12-20(10-5-2)11-6-3/h4-13H2,1-3H3,(H2,18,19,21,22)/p+1


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